SCHEMBL1633630

SCHEMBL1633630

O=S(=O)(c1cccc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)c1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.45
PIK3CA P42336 5/20 0.44
MTOR P42345 5/20 0.44
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNA5 P22460 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41
JUN P05412 1/20 0.41
MAPK8 P45983 1/20 0.41
FYN P06241 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1631590 0.92 MAPK10 (0.50) MAPK10PIK3CAMTORCDK2KDM4E
SCHEMBL1633636 0.88 RIPK2 (0.48) MAPK10JUNFGFR2
SCHEMBL1633505 0.86 MAPK10 (0.48) MAPK10CCNT1CDK2CDK9JUN
SCHEMBL1633229 0.85 TBK1 (0.49) MAPK10CDK1CCNA2CDK2
SCHEMBL1633488 0.84 MAPK10 (0.56) MAPK10CDK1CCNB1CDK2JUN
SCHEMBL1631565 0.83 MAPK10 (0.48) MAPK10JUNFGFR2
SCHEMBL1634890 0.83 MAPK10 (0.47) MAPK10CDK1JUNMAPK8FGFR2
SCHEMBL1633364 0.82 KDR (0.45) MAPK10MTORPOLBCCNT1CDK1
SCHEMBL1633121 0.82 MAPK10 (0.52) MAPK10JUNMAPK8FYNFGFR2
SCHEMBL1633913 0.82 JAK3 (0.48) MAPK10CDK1CCNB1CDK2JUN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPK10 402/4885PIK3CA 135/4885MTOR 82/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.